ChemSpider 2D Image | 1-[(tert-Butoxy)carbonyl]-3-cyanoazetidine-3-carboxylic acid | C10H14N2O4

1-[(tert-Butoxy)carbonyl]-3-cyanoazetidine-3-carboxylic acid

  • Molecular FormulaC10H14N2O4
  • Average mass226.229 Da
  • Monoisotopic mass226.095352 Da
  • ChemSpider ID29784113

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3-Azetidinedicarboxylic acid, 3-cyano-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
1-[(tert-Butoxy)carbonyl]-3-cyanoazetidine-3-carboxylic acid
1158759-45-5 [RN]
3-Cyan-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
3-Cyano-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azetidinecarboxylic acid [ACD/IUPAC Name]
Acide 3-cyano-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
1-(tert-Butoxycarbonyl)-3-cyanoazetidine-3-carboxylic acid
1-Boc-3-cyanoazetidine-3-carboxylic acid
1-tert-Butoxycarbonyl-3-cyano-azetidine-3-carboxylic acid
3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 405.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±6.0 kJ/mol
    Flash Point: 198.9±28.7 °C
    Index of Refraction: 1.527
    Molar Refractivity: 53.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.17
    ACD/LogD (pH 5.5): -3.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 91 Å2
    Polarizability: 21.3±0.5 10-24cm3
    Surface Tension: 55.8±5.0 dyne/cm
    Molar Volume: 174.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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